Glycoside
GD033249
Name:
NoneFormula:
C11H14O9N2SSmiles:
O=C(O)CS(=O)(=O)C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)CC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.31 | Num_heavy_atoms: | 23 |
| TPSA: | 175.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD21238
Formula: C3H6O4S
Smiles:
CS(=O)(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.14 | Num_heavy_atoms: | 8 |
| TPSA: | 71.44 | NumAromaticRings: | 0 |
